(6-azaniumylidenecyclohexa-2,4-dien-1-yl)azanide

C6H8N2 — CID 142810732

IUPAC(6-azaniumylidenecyclohexa-2,4-dien-1-yl)azanide
SMILES[NH-]C1C=CC=CC1=[NH2+]
InChIInChI=1S/C6H7N2/c7-5-3-1-2-4-6(5)8/h1-5,7-8H/q-1/p+1
InChIKeyLVQXEUQBDZOKDM-UHFFFAOYSA-O
MW108.14 g/mol
LogP-0.27
Rot. Bonds

About (6-azaniumylidenecyclohexa-2,4-dien-1-yl)azanide

(6-azaniumylidenecyclohexa-2,4-dien-1-yl)azanide (PubChem CID 142810732) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is (6-azaniumylidenecyclohexa-2,4-dien-1-yl)azanide.

Molecular Properties

Compound Name(6-azaniumylidenecyclohexa-2,4-dien-1-yl)azanide
PubChem CID142810732
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name(6-azaniumylidenecyclohexa-2,4-dien-1-yl)azanide
SMILES[NH-]C1C=CC=CC1=[NH2+]
InChIInChI=1S/C6H7N2/c7-5-3-1-2-4-6(5)8/h1-5,7-8H/q-1/p+1
InChIKeyLVQXEUQBDZOKDM-UHFFFAOYSA-O
XLogP-0.27
TPSA49.39 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-azaniumylidenecyclohexa-2,4-dien-1-yl)azanide?
The IUPAC name of (6-azaniumylidenecyclohexa-2,4-dien-1-yl)azanide (CID 142810732) is (6-azaniumylidenecyclohexa-2,4-dien-1-yl)azanide.
What is the SMILES notation for (6-azaniumylidenecyclohexa-2,4-dien-1-yl)azanide?
The canonical SMILES for (6-azaniumylidenecyclohexa-2,4-dien-1-yl)azanide is [NH-]C1C=CC=CC1=[NH2+].
What is the InChIKey of (6-azaniumylidenecyclohexa-2,4-dien-1-yl)azanide?
The InChIKey is LVQXEUQBDZOKDM-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H7N2/c7-5-3-1-2-4-6(5)8/h1-5,7-8H/q-1/p+1.
What are the key properties of (6-azaniumylidenecyclohexa-2,4-dien-1-yl)azanide?
(6-azaniumylidenecyclohexa-2,4-dien-1-yl)azanide has a molecular weight of 108.14 g/mol, XLogP of -0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6-azaniumylidenecyclohexa-2,4-dien-1-yl)azanide is sourced from PubChem (CID 142810732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).